Information card for entry 7019613

Structure parameters

• Common name: [(NONO)2Zn4(OEt)2CdI4]
• Formula: C28 H46 Cd I4 N4 O4 Zn4
• Calculated formula: C28 H46 Cd I4 N4 O4 Zn4
• SMILES: [I]1[Cd]2([I][Zn]3([O]4[Zn]561[O]3C(=CC(=[N]6CC[N]5=C(C=C4C)C)C)C)CC)[I][Zn]1([O]3[Zn]45([I]2)[O]1C(=CC(=[N]5CC[N]4=C(C=C3C)C)C)C)CC
• Title of publication: A 1D Schiff base zinc polymer as a versatile metallo-ligand for the synthesis of polynuclear zinc cages.
• Authors of publication: Richards, Anne F.; Aprile, Antonino; Hogan, Conor F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 27
• Pages of publication: 8361 - 8367
• a: 8.8739 ± 0.0002 Å
• b: 17.6026 ± 0.0005 Å
• c: 26.5306 ± 0.0005 Å
• α: 90°
• β: 92.25 ± 0.002°
• γ: 90°
• Cell volume: 4140.98 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No